CID 6434009

13,14-dihydro pgf2a

Structural Information

Molecular Formula
C20H36O5
SMILES
CCCCCC(CCC1C(CC(C1C/C=C/CCCC(=O)O)O)O)O
InChI
InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,15-19,21-23H,2-3,5-6,8-14H2,1H3,(H,24,25)/b7-4+
InChIKey
LLQBSJQTCKVWTD-QPJJXVBHSA-N
Compound name
(E)-7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

17
Patents

356.2563 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.26358 192.0
[M+Na]+ 379.24552 195.6
[M+NH4]+ 374.29012 194.6
[M+K]+ 395.21946 193.6
[M-H]- 355.24902 188.0
[M+Na-2H]- 377.23097 187.8
[M]+ 356.25575 190.5
[M]- 356.25685 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe